N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide

C18H20N4O4 — CID 16891544

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide
SMILESCN(C)c1ccc(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H20N4O4/c1-21(2)15-8-6-13(7-9-15)10-11-19-17(23)18(24)20-14-4-3-5-16(12-14)22(25)26/h3-9,12H,10-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyUEUCWGTUIYCZPT-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.96
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide (PubChem CID 16891544) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide
PubChem CID16891544
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide
SMILESCN(C)c1ccc(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H20N4O4/c1-21(2)15-8-6-13(7-9-15)10-11-19-17(23)18(24)20-14-4-3-5-16(12-14)22(25)26/h3-9,12H,10-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyUEUCWGTUIYCZPT-UHFFFAOYSA-N
XLogP1.96
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N'-(3-nitrophenyl)oxamide
CID 71894770
N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
CID 108513255
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-(3-nitrophenyl)oxamide
CID 30774166
N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide
CID 108513314
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide
CID 41398381
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitrophenyl)thiourea
CID 3832401
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528
1-[2-(3-bromophenyl)ethyl]-3-(3-nitrophenyl)urea
CID 108901627
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide (CID 16891544) is N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide is CN(C)c1ccc(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide?
The InChIKey is UEUCWGTUIYCZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-21(2)15-8-6-13(7-9-15)10-11-19-17(23)18(24)20-14-4-3-5-16(12-14)22(25)26/h3-9,12H,10-11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide has a molecular weight of 356.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide is sourced from PubChem (CID 16891544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).